Solving the Wigner Equation with Signed Particles Monte Carlo for Chemically Relevant Potentials

07 May 2021, Version 1
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

This paper presents the Signed Particles Monte Carlo algorithm for the solution of the transient Wigner equation for potentials relevant in chemical physics. Benchmarks include the harmonic and the double well potentials.

Keywords

Wigner equation
Monte Carlo computer simulations
quantum dynamics propagation
molecular dynamics

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